3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

C21H29FN2O2 — CID 131690285

IUPAC3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1ccc2c(c1)C(N1CCOCC1)CC21CCN(C(=O)CCF)CC1
InChIInChI=1S/C21H29FN2O2/c1-16-2-3-18-17(14-16)19(23-10-12-26-13-11-23)15-21(18)5-8-24(9-6-21)20(25)4-7-22/h2-3,14,19H,4-13,15H2,1H3
InChIKeyMQPBXHLSEQCQFE-UHFFFAOYSA-N
MW360.47 g/mol
LogP2.99
Rot. Bonds3

About 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one

3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (PubChem CID 131690285) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.

Molecular Properties

Compound Name3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
PubChem CID131690285
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
SMILESCc1ccc2c(c1)C(N1CCOCC1)CC21CCN(C(=O)CCF)CC1
InChIInChI=1S/C21H29FN2O2/c1-16-2-3-18-17(14-16)19(23-10-12-26-13-11-23)15-21(18)5-8-24(9-6-21)20(25)4-7-22/h2-3,14,19H,4-13,15H2,1H3
InChIKeyMQPBXHLSEQCQFE-UHFFFAOYSA-N
XLogP2.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one with MolForge

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Related Compounds

2-Methoxy-1-[6-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-9-yl]ethanone
CID 44825897
[1-(2-Hydroxyethyl)piperidin-4-yl]-[5-[4-(trifluoromethyl)phenyl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-9-yl]methanone
CID 170341190
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinopropionyl)-N-methyl-, hydrochloride
CID 110899
1-[4-(6-fluoro-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 71979109
4-(6-Methyl-2,3-dihydrospiro[indene-1,4'-piperidine]-3-yl)morpholine
CID 118738943
2-Methoxy-1-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118738948
4-(5-Methyl-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl)morpholine
CID 118740840
1-(5-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)ethanone
CID 118742632
1-(6-Methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one
CID 118742634
Cyclopropyl-(5-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 118742639
4-[1'-(2-Methoxyethyl)-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]morpholine
CID 118746587

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The IUPAC name of 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one (CID 131690285) is 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one.
What is the SMILES notation for 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The canonical SMILES for 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is Cc1ccc2c(c1)C(N1CCOCC1)CC21CCN(C(=O)CCF)CC1.
What is the InChIKey of 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
The InChIKey is MQPBXHLSEQCQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-16-2-3-18-17(14-16)19(23-10-12-26-13-11-23)15-21(18)5-8-24(9-6-21)20(25)4-7-22/h2-3,14,19H,4-13,15H2,1H3.
What are the key properties of 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one?
3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one has a molecular weight of 360.47 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(6-methyl-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)propan-1-one is sourced from PubChem (CID 131690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).